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Structure of human C-src tyrosine kinase (THR338GLY mutant) in complex with N6-benzyl ADP

Analyse Structure of human C-src tyrosine kinase (THR338GLY mutant) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1KSW
Type: protein
Length: 450 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Proto-oncogene tyrosine-protein kinase src
EC: 2.7.1.112
UniProt: P12931
Ligands: NBS
Pockets: 6 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Proto-oncogene tyrosine-protein kinase src (EC 2.7.1.112)	protein	450	28% helix, 24% strand	P12931

Ligands and binding sites

NBS · N6-benzyl adenosine-5'-diphosphate · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	447	0.77	0.85	49	NBS
2	927	0.71	0.76	75	empty
3	253	0.50	0.74	27	empty
4	82	0.42	0.79	20	empty
5	51	0.33	0.78	16	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

1KSW · Structure of Human c-Src Tyrosine Kinase (Thr338Gly Mutant) in Complex with N6-benzyl ADP · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P12931
Elsewhere: RCSB PDB 1KSW · PDBe 1KSW · UniProt P12931

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